TL;DR: Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride (CAS 160518-46-7) is a chemical compound with molecular formula C15H20Cl2N2O2S and molecular weight 362.06226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-4-propoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone;hydrochloride
Also Known As: Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride, Ethanone, 1-(3-chloro-4-propoxyphenyl)-2-((4,5-dihydro-1-methyl-1H-imidazol-2-yl)thio)-, monohydrochloride, 1-(3-CHLORO-4-PROPOXY-PHENYL)-2-[(1-METHYL-4,5-DIHYDROIMIDAZOL-2-YL)SU LFANYL]ETHANONE HYDROCHLORIDE, 1-(3-chloro-4-propoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone;hydrochloride, 1-(3-Chloro-4-propoxyphenyl)-2-[(1-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C15H20Cl2N2O2S |
| Molecular Weight | 362.06226 g/mol |
| XLogP | 3.7679 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.06226 Da |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
| SMILES | CCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2C)Cl.Cl |
| InChIKey | DVWXJQSUIGBXMK-UHFFFAOYSA-N |
The XLogP value of 3.7679 indicates that Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride. Following Lipinski's Rule of Five, Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride is 160518-46-7.
The molecular formula of Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride is C15H20Cl2N2O2S.
The molecular weight of Acetophenone, 3'-chloro-2-((1-methyl-2-imidazolin-2-yl)thio)-4'-propoxy-, monohydrochloride is 362.06226 g/mol.
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